methyl 3-cyano-4,6-dimethylpyridine-2-carboxylate

C10H10N2O2 — CID 130298670

IUPACmethyl 3-cyano-4,6-dimethylpyridine-2-carboxylate
SMILESCOC(=O)c1nc(C)cc(C)c1C#N
InChIInChI=1S/C10H10N2O2/c1-6-4-7(2)12-9(8(6)5-11)10(13)14-3/h4H,1-3H3
InChIKeyXCMMSTIMEUFUPZ-UHFFFAOYSA-N
MW190.20 g/mol
LogP1.36
Rot. Bonds1

About methyl 3-cyano-4,6-dimethylpyridine-2-carboxylate

methyl 3-cyano-4,6-dimethylpyridine-2-carboxylate (PubChem CID 130298670) has the molecular formula C10H10N2O2 and a molecular weight of 190.20 g/mol. Its IUPAC name is methyl 3-cyano-4,6-dimethylpyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-cyano-4,6-dimethylpyridine-2-carboxylate
PubChem CID130298670
Molecular FormulaC10H10N2O2
Molecular Weight190.20 g/mol
Exact Mass190.07
IUPAC Namemethyl 3-cyano-4,6-dimethylpyridine-2-carboxylate
SMILESCOC(=O)c1nc(C)cc(C)c1C#N
InChIInChI=1S/C10H10N2O2/c1-6-4-7(2)12-9(8(6)5-11)10(13)14-3/h4H,1-3H3
InChIKeyXCMMSTIMEUFUPZ-UHFFFAOYSA-N
XLogP1.36
TPSA62.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.20
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethane;methyl 3-cyano-6-methylpyridine-2-carboxylate
CID 142574365
(3-cyano-4,6-dimethyl-2-pyridinyl) 4-methylbenzoate
CID 7573946
methyl 5-[(3-cyano-4,6-dimethyl-2-pyridinyl)oxymethyl]furan-2-carboxylate
CID 891684
methyl 2-[(3-cyano-4,6-dimethyl-2-pyridinyl)-(2-methoxy-2-oxoethyl)amino]acetate
CID 62957492
methyl 3-cyano-4-(difluoromethyl)-6-methoxypyridine-2-carboxylate
CID 134676477
methyl 2-cyano-3-methyl-5-nitrobenzoate
CID 134648110
methyl 2-cyano-5-fluoro-3-methylbenzoate
CID 131090914
methyl 4-bromo-3-hydroxy-6-methylpyridine-2-carboxylate
CID 142367193
4-acetyl-2-methoxy-6-methylpyridine-3-carbonitrile
CID 121309475
(3-cyano-4,6-dimethyl-2-pyridinyl) thiophene-2-carboxylate
CID 2726030
methyl 6-cyano-3-(difluoromethyl)-4-methylpyridine-2-carboxylate
CID 133107578
methyl 2-chloro-4,6-dimethylpyridine-3-carboxylate
CID 50903563

Frequently Asked Questions

What is the IUPAC name of methyl 3-cyano-4,6-dimethylpyridine-2-carboxylate?
The IUPAC name of methyl 3-cyano-4,6-dimethylpyridine-2-carboxylate (CID 130298670) is methyl 3-cyano-4,6-dimethylpyridine-2-carboxylate.
What is the SMILES notation for methyl 3-cyano-4,6-dimethylpyridine-2-carboxylate?
The canonical SMILES for methyl 3-cyano-4,6-dimethylpyridine-2-carboxylate is COC(=O)c1nc(C)cc(C)c1C#N.
What is the InChIKey of methyl 3-cyano-4,6-dimethylpyridine-2-carboxylate?
The InChIKey is XCMMSTIMEUFUPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O2/c1-6-4-7(2)12-9(8(6)5-11)10(13)14-3/h4H,1-3H3.
What are the key properties of methyl 3-cyano-4,6-dimethylpyridine-2-carboxylate?
methyl 3-cyano-4,6-dimethylpyridine-2-carboxylate has a molecular weight of 190.20 g/mol, XLogP of 1.36, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-cyano-4,6-dimethylpyridine-2-carboxylate is sourced from PubChem (CID 130298670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).